Chemical ID: 5882443

CC(C)CN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)COc3ccc(cc3)Cl
Chemical ID:
5882443
Name [?]:
2-[[2-(4-chlorophenoxy)acetyl]-isobutyl-amino]-N-[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C28H35ClN4O4/c1-19(2)16-32(27(35)18-37-23-11-7-20(29)8-12-23)17-26(34)30-25-15-24(28(3,4)5)31-33(25)21-9-13-22(36-6)14-10-21/h7-15,19H,16-18H2,1-6H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,26,22,33,35,16,20,32,36,17,19,11,4,6,29,2,34,15,18,31,12,10,7,27,23,37,9,13,5,14,8,28,21,30/E:(1,2)(3,4,5)(7,8)(9,10)(11,12)(13,14)/rA:37nCCCCNCCONCCCNNCCCCCCOCCCCCCOCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s12;s23;s23;s23;s5;d27;s27;s29;s30;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35ClN4O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.2029
Area:812.822
Solvation:-7.11769
Coulombic:-57.6494
Bond Count [?]
All:39
Single:29
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:527.055
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.13
LogP (Chemaxon):5.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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